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18186-67-9 | 2H-1-Benzopyran-2-one, 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
CAS No: 18186-67-9 Catalog No: AG00235Q MDL No:
Product Description
Catalog Number:
AG00235Q
Chemical Name:
2H-1-Benzopyran-2-one, 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
CAS Number:
18186-67-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
InChI:
InChI=1S/C15H15NO3/c17-14(16-7-3-4-8-16)10-12-9-11-5-1-2-6-13(11)19-15(12)18/h1-2,5-6,9H,3-4,7-8,10H2
InChI Key:
ATMOOXXFMHQVMN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Cc1cc2ccccc2oc1=O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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